A quantum mechanics/molecular mechanics study of the acylation reaction of TEM1 β-lactamase and penicillanate

Journal of the Chemical Society. Perkin Transactions 2

Volumn , Issue 4, 2000, Pages 761-767

  Pitarch, Jesús ^a   Pascual Ahuir, Juan Luis ^a   Silla, Estanislao ^a   Tuñón, Iñaki ^a  

^a UNIVERSITY OF VALENCIA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; ANTIBIOTICS; ENZYMES; HYDROLYSIS; MOLECULAR DYNAMICS; MOLECULES; NITROGEN; PROTONS; QUANTUM THEORY; SUBSTRATES; TRANSPORT PROPERTIES; WATER;

LACTAMASE; LACTAMS; NITROGEN PROTONATION; PENICILLANATE; PROTON TRANSFER;

ACYLATION;

EID: 0034175153     PISSN: 03009580     EISSN: None     Source Type: Journal    
DOI: 10.1039/a908264f     Document Type: Article

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